N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide

C12H17FN2O2 — CID 60683583

IUPACN-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CCO)cc1F
InChIInChI=1S/C12H17FN2O2/c1-9-3-4-10(7-11(9)13)14-12(17)8-15(2)5-6-16/h3-4,7,16H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyIXWZMGVSWPKFKI-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.00
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide

N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 60683583) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID60683583
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CCO)cc1F
InChIInChI=1S/C12H17FN2O2/c1-9-3-4-10(7-11(9)13)14-12(17)8-15(2)5-6-16/h3-4,7,16H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyIXWZMGVSWPKFKI-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62021403
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
4-[[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123087
2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 62687003
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 40714282
2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 47533816
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 102848326

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 60683583) is N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)CCO)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is IXWZMGVSWPKFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9-3-4-10(7-11(9)13)14-12(17)8-15(2)5-6-16/h3-4,7,16H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 240.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 60683583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).